1-[2-(methylsulfanylsulfonylamino)-5-propan-2-ylsulfonyl-phenyl]-3-oxidanyl-piperazine

Systemtic Name: 1-[2-(methylsulfanylsulfonylamino)-5-propan-2-ylsulfonyl-phenyl]-3-oxidanyl-piperazine Openeye Name: 3-hydroxy-1-[5-isopropylsulfonyl-2-(methylsulfanylsulfonylamino)phenyl]piperazine CAS Name: 3-hydroxy-1-[2-[(methylthio)sulfonylamino]-5-propan-2-ylsulfonylphenyl]piperazine IUPAC Name: 3-hydroxy-1-[2-(methylsulfanylsulfonylamino)-5-propan-2-ylsulfonylphenyl]piperazine Traditional Name: 3-hydroxy-1-[5-isopropylsulfonyl-2-[(methylthio)sulfonylamino]phenyl]piperazine Formula: C14H23N3O5S3 MolecularWeight: 409.54452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)SC)N2CCNC(C2)O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)SC)N2CCNC(C2)O

InChI

InChI=1S/C14H23N3O5S3/c1-10(2)24(19,20)11-4-5-12(16-25(21,22)23-3)13(8-11)17-7-6-15-14(18)9-17/h4-5,8,10,14-16,18H,6-7,9H2,1-3H3